(Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one
TL;DR: (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one (CAS 1164516-28-2) is a chemical compound with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
Also Known As: (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one, (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one, (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one, (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-1-benzofuran-3(2H)-one, 2-[(2E)-3-(2-methoxyphenyl)prop-2-enylidene]-7-[(4-ethylpiperazinyl)methyl]-6- hydroxybenzo[b]furan-3-one
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 3.7107 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 1020.1772 |
Chemical Identifiers
| CAS Number | 1164516-28-2 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C=C\C4=CC=CC=C4OC)/C3=O)O |
Product Overview
(Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one (CAS 1164516-28-2), with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol. IUPAC: (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one.
Chemical Property Profile of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one
Property Insights of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one
The XLogP value of 3.7107 indicates that (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
The CAS number of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one is 1164516-28-2.
What is the molecular formula of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
The molecular formula of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one is C25H28N2O4.
What is the molecular weight of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
The molecular weight of (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one is 420.20 g/mol.
Where can I buy (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
You can request a quote for (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-7-((4-ethylpiperazin-1-yl)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.